N-(8-hydroxy-7-methylnon-3-enyl)acetamide

C12H23NO2 — CID 90930612

IUPACN-(8-hydroxy-7-methylnon-3-enyl)acetamide
SMILESCC(=O)NCCC=CCCC(C)C(C)O
InChIInChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-5-7-9-13-12(3)15/h4-5,10-11,14H,6-9H2,1-3H3,(H,13,15)
InChIKeyNZNCYCKWQULGRI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

About N-(8-hydroxy-7-methylnon-3-enyl)acetamide

N-(8-hydroxy-7-methylnon-3-enyl)acetamide (PubChem CID 90930612) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(8-hydroxy-7-methylnon-3-enyl)acetamide.

Molecular Properties

Compound NameN-(8-hydroxy-7-methylnon-3-enyl)acetamide
PubChem CID90930612
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(8-hydroxy-7-methylnon-3-enyl)acetamide
SMILESCC(=O)NCCC=CCCC(C)C(C)O
InChIInChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-5-7-9-13-12(3)15/h4-5,10-11,14H,6-9H2,1-3H3,(H,13,15)
InChIKeyNZNCYCKWQULGRI-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4R,5R)-5-hydroxy-4,6-dimethyl-N-prop-2-enylhept-2-enamide
CID 162410461
(3Z,5E,7Z,13E,15Z,17E)-10-hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
CID 57741093
N-[cyclopent-2-en-1-yl(hydroxy)methyl]acetamide
CID 69272974
(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 88887571
N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide
CID 88887575
N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 90783309
N-(8-hydroxy-7-methylnon-4-enyl)butanamide
CID 90893814
N-(11-hydroxy-10-methyldodec-7-enyl)acetamide
CID 91355114
8-hydroxy-7-methyl-N-propylnon-4-enamide
CID 91382711
10-Hydroxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
CID 91500393
(7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 123807803
cyclopentylmethanol;(Z)-N-ethylhept-5-enamide
CID 144463787

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-7-methylnon-3-enyl)acetamide?
The IUPAC name of N-(8-hydroxy-7-methylnon-3-enyl)acetamide (CID 90930612) is N-(8-hydroxy-7-methylnon-3-enyl)acetamide.
What is the SMILES notation for N-(8-hydroxy-7-methylnon-3-enyl)acetamide?
The canonical SMILES for N-(8-hydroxy-7-methylnon-3-enyl)acetamide is CC(=O)NCCC=CCCC(C)C(C)O.
What is the InChIKey of N-(8-hydroxy-7-methylnon-3-enyl)acetamide?
The InChIKey is NZNCYCKWQULGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(11(2)14)8-6-4-5-7-9-13-12(3)15/h4-5,10-11,14H,6-9H2,1-3H3,(H,13,15).
What are the key properties of N-(8-hydroxy-7-methylnon-3-enyl)acetamide?
N-(8-hydroxy-7-methylnon-3-enyl)acetamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-7-methylnon-3-enyl)acetamide is sourced from PubChem (CID 90930612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).